Ara
Toplam kayıt 843, listelenen: 831-840
Azo-methoxy-calix[4]arene complexes with metal cations for chemical sensor applications: Characterization, QTAIM analyses and dispersion-corrected DFT- computations
(Pergamon-Elsevier Science Ltd, 2022)
In this work, the structures, quantum chemical descriptors, morphologic characterization of the azomethoxy-calix[4]arene were investigated. The analyses and interpretation of the theoretical and the experimental IR ...
Revealing the effect of Co/Cu (d7/d9) cationic doping on an electronic acceptor ZnO nanocage surface for the adsorption of citric acid, vinyl alcohol, and sulfamethoxazole ligands: DFT-D3, QTAIM, IGM-NCI, and MD analysis
(ELSEVIER SCIENCE SA, 2023)
The electron-spin duality and propagation of the active sites of free electrons are of interest for adsorbing the guests and fixing them with strong hydrogen bonds (HB). The coherence of the systems with the guests is one ...
Theoretical assessment of calix[4]arene-N-beta-ketoimine (n=1-4) derivatives: Conformational studies, optoelectronic, and sensing of Cu(2+)cation
(Springer, 2021)
Herein, we have investigated the key functions of the calix[4]arene, abbreviated as CX [1], and designed its several derivatives by substitution of the functional groups. Molecular geometry provides an intuitive understanding ...
SYNTHESIS, CHARACTERIZATION, THERMAL, X-RAY, AND DFT ANALYSES OF 6-TERT-BUTYL 3-ETHYL 2-[(3-METHOXY/5-BROMO)-2-HYDROXY AND (3-NITRO/3-METHOXY)BENZYLIDENEAMINO]- 4,5-DIHYDROTHIENO[2,3-C]PYRIDINE-3,6(7H)-DICARBOXYLATE
(Pleiades Publishing Inc, 2021)
In this work, 6-tert-butyl 3-ethyl 2-amino-4,5-dihydrothieno[2,3-c]pyridine-3,6(7H)-dicarboxylate is synthesized from starting tert-butyl 4-oxopiperidine-1-carboxylate, ethyl cyanomalonate, and sulfur, and then, coupled ...
Molecular stabilities, conformational analyses and molecular docking studies of benzimidazole derivatives bearing 1,2,4-triazole as EGFR inhibitors
(Springer/Plenum Publishers, 2021)
A detailed study of the tautomeric properties, the conformations, and the mechanism behind the anti-cancer properties of 5-{[2-(4-methoxyphenyl)-1H-benzimidazol-1-yl]methyl}-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione ...
Optical characteristics of Bi12SiO20 single crystals by spectroscopic ellipsometry
(Elsevier, 2020)
Structural and optical characteristics of Bi12SiO20 single crystal grown by the Czochralski method were investigated by virtue of X-ray diffraction (XRD) and spectroscopic ellipsometry measurements. XRD analysis indicated ...
A data-driven approach based on deep neural networks for lithium-ion battery prognostics
(Springer London Ltd, 2021)
Remaining useful life estimation is gaining attention in many real-world applications to alleviate maintenance expenses and increase system reliability and efficiency. Deep learning approaches have recently provided a ...
Multi-step influenza outbreak forecasting using deep LSTM network and genetic algorithm
(Pergamon-Elsevier Science Ltd, 2021)
Influenza epidemic is a serious public health problem that has attracted worldwide attention due to cause cases of severe illness, an enormous economic burden, and even deaths worldwide each year. Forecasting influenza ...
Adsorption of Methyl Violet 2B and Direct Red 28 From Single and Binary Solution Using a Magnetic Zeolite/TiO2/Fe3O4 Nanocomposite
(SPRINGER HEIDELBERG, 2023)
In this research, a magnetic adsorbent called ZTF was synthesized by combining zeolite and TiO2. Various analytical techniques including SEM, EDS, BET, FTIR, XRD, Zeta potential, and VSM were utilized to characterize the ...
The relationship between expressed emotion, personality traits and prognosis of alcohol and substance addiction: 6-month follow-up study
(Taylor and Francis Ltd., 2021)
Aim: Preventing relapses in addiction and related factors are still being investigated. There is inadequate data, specifically, on the effects of expressed emotion (EE) among key relatives of patients with alcohol and ...